1-[5-[[(2S,3R)-6-ethyl-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone

C20H23NO5S — CID 159466462

IUPAC1-[5-[[(2S,3R)-6-ethyl-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone
SMILESCCc1ccc2c(c1)C[C@@H](O)[C@H](C)N2S(=O)(=O)c1ccc(O)c(C(C)=O)c1
InChIInChI=1S/C20H23NO5S/c1-4-14-5-7-18-15(9-14)10-20(24)12(2)21(18)27(25,26)16-6-8-19(23)17(11-16)13(3)22/h5-9,11-12,20,23-24H,4,10H2,1-3H3/t12-,20+/m0/s1
InChIKeyYMWPTJFODDRTRQ-FKIZINRSSA-N
MW389.47 g/mol
LogP2.66
Rot. Bonds4

About 1-[5-[[(2S,3R)-6-ethyl-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone

1-[5-[[(2S,3R)-6-ethyl-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone (PubChem CID 159466462) has the molecular formula C20H23NO5S and a molecular weight of 389.47 g/mol. Its IUPAC name is 1-[5-[[(2S,3R)-6-ethyl-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone.

Molecular Properties

Compound Name1-[5-[[(2S,3R)-6-ethyl-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone
PubChem CID159466462
Molecular FormulaC20H23NO5S
Molecular Weight389.47 g/mol
Exact Mass389.13
IUPAC Name1-[5-[[(2S,3R)-6-ethyl-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone
SMILESCCc1ccc2c(c1)C[C@@H](O)[C@H](C)N2S(=O)(=O)c1ccc(O)c(C(C)=O)c1
InChIInChI=1S/C20H23NO5S/c1-4-14-5-7-18-15(9-14)10-20(24)12(2)21(18)27(25,26)16-6-8-19(23)17(11-16)13(3)22/h5-9,11-12,20,23-24H,4,10H2,1-3H3/t12-,20+/m0/s1
InChIKeyYMWPTJFODDRTRQ-FKIZINRSSA-N
XLogP2.66
TPSA94.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.47
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-[[(2S,3R)-6-ethyl-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone with MolForge

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Related Compounds

1-[5-[(6-ethyl-2,4-dimethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-hydroxyphenyl]ethanone
CID 158563770
5-ethyl-2-methyl-1-methylsulfonyl-2,3-dihydroindole
CID 84761078
4-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-isocyanophenol
CID 154608822
2-methyl-5-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoic acid
CID 55460783
ethyl 4-[(2-methyl-5-sulfamoyl-2,3-dihydroindol-1-yl)sulfonyl]benzoate
CID 24556093
methyl 5-[(6-tert-butyl-2-ethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-hydroxybenzoate
CID 155021889
2-but-2-ynoxy-5-[(2-cyclopropyl-6-ethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]benzoic acid
CID 175141793
methyl 5-[(6-cyclopropyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-hydroxybenzoate
CID 138518124
methyl 5-[(6-ethyl-2-methyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxan-4-ylmethoxy)benzoate
CID 138518307
3-acetyl-N-[2-(3-cyclobutyl-3-hydroxypropyl)-4-ethylphenyl]-4-hydroxybenzenesulfonamide
CID 157390492
[5-[(2,6-diethyl-3,4-dihydro-2H-quinolin-1-yl)sulfonyl]-2-(oxiran-2-yl)phenyl]methyl acetate
CID 154608852
(2S)-6-ethyl-1,2,3-trimethyl-3,4-dihydro-2H-quinoline
CID 144701726

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[(2S,3R)-6-ethyl-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone?
The IUPAC name of 1-[5-[[(2S,3R)-6-ethyl-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone (CID 159466462) is 1-[5-[[(2S,3R)-6-ethyl-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone.
What is the SMILES notation for 1-[5-[[(2S,3R)-6-ethyl-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone?
The canonical SMILES for 1-[5-[[(2S,3R)-6-ethyl-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone is CCc1ccc2c(c1)C[C@@H](O)[C@H](C)N2S(=O)(=O)c1ccc(O)c(C(C)=O)c1.
What is the InChIKey of 1-[5-[[(2S,3R)-6-ethyl-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone?
The InChIKey is YMWPTJFODDRTRQ-FKIZINRSSA-N. The full InChI is InChI=1S/C20H23NO5S/c1-4-14-5-7-18-15(9-14)10-20(24)12(2)21(18)27(25,26)16-6-8-19(23)17(11-16)13(3)22/h5-9,11-12,20,23-24H,4,10H2,1-3H3/t12-,20+/m0/s1.
What are the key properties of 1-[5-[[(2S,3R)-6-ethyl-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone?
1-[5-[[(2S,3R)-6-ethyl-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone has a molecular weight of 389.47 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[(2S,3R)-6-ethyl-3-hydroxy-2-methyl-3,4-dihydro-2H-quinolin-1-yl]sulfonyl]-2-hydroxyphenyl]ethanone is sourced from PubChem (CID 159466462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).